2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methoxy]benzoate

Systemtic Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methoxy]benzoate Openeye Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methoxy]benzoate CAS Name: 2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methoxy]benzoate IUPAC Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methoxy]benzoate Traditional Name: 2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methoxy]benzoate Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1COC2=CC=CC=C2C(=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1COC2=CC=CC=C2C(=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C16H18N4O3/c21-15(22)13-4-1-2-5-14(13)23-12-19-8-10-20(11-9-19)16-17-6-3-7-18-16/h1-7H,8-12H2,(H,21,22)